GALANGIN

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Synonyms
Molecule Category Free-form
UNII 142FWE6ECS
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key VCCRNZQBSJXYJD-UHFFFAOYSA-N
Smiles OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccccc3
InChI
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O5
Molecular Weight 270.24
AlogP 2.11
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 86.99
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 12 - - -
Enzyme
- 12 - - 42.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Avian myeloblastosis virus
- - - - 42.1
Homo sapiens
- 12 - - -

Cross References

Resources Reference
ChEMBL CHEMBL309490
FDA SRS 142FWE6ECS
PDB KMC
PubChem 5281616
SureChEMBL SCHEMBL117225
ZINC ZINC00120273
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